CID 4410044

N,n'-bis(cyclohexyloxycarbonyl)-4-methyl-1,3-phenylenediamine

Structural Information

Molecular Formula
C21H30N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OC2CCCCC2)NC(=O)OC3CCCCC3
InChI
InChI=1S/C21H30N2O4/c1-15-12-13-16(22-20(24)26-17-8-4-2-5-9-17)14-19(15)23-21(25)27-18-10-6-3-7-11-18/h12-14,17-18H,2-11H2,1H3,(H,22,24)(H,23,25)
InChIKey
JFJHOJGCNJIISJ-UHFFFAOYSA-N
Compound name
cyclohexyl N-[3-(cyclohexyloxycarbonylamino)-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

374.22055 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.22783 189.4
[M+Na]+ 397.20977 187.9
[M-H]- 373.21327 196.4
[M+NH4]+ 392.25437 199.4
[M+K]+ 413.18371 185.6
[M+H-H2O]+ 357.21781 179.4
[M+HCOO]- 419.21875 205.3
[M+CH3COO]- 433.23440 219.6
[M+Na-2H]- 395.19522 187.8
[M]+ 374.22000 181.8
[M]- 374.22110 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe